==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-12 4DK2 . COMPND 2 MOLECULE: DEOXYURIDINE TRIPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR G.R.HEMSWORTH,D.GONZALEZ-PACANOWSKA,K.S.WILSON . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 0 1 0 0 0 0 2 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 8 A S 0 0 171 0, 0.0 2,-0.3 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 104.0 -5.2 32.5 9.6 2 9 A L - 0 0 37 1,-0.1 161,-0.1 2,-0.1 5,-0.1 -0.524 360.0-106.9 -71.9 126.5 -8.3 30.3 10.1 3 10 A S > - 0 0 26 223,-0.4 4,-2.3 -2,-0.3 3,-0.4 -0.245 13.6-134.8 -59.9 134.0 -11.4 32.5 9.7 4 11 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.817 107.9 58.9 -55.2 -30.7 -13.3 33.3 13.0 5 12 A L H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.915 106.5 46.2 -61.5 -43.4 -16.5 32.5 11.1 6 13 A I H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.910 111.3 52.7 -66.9 -39.8 -15.2 29.0 10.4 7 14 A L H X S+ 0 0 13 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 109.9 48.2 -62.2 -41.5 -14.1 28.6 14.0 8 15 A R H X S+ 0 0 112 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.898 109.4 53.0 -65.8 -41.3 -17.6 29.6 15.2 9 16 A S H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.916 108.0 50.6 -63.1 -41.0 -19.2 27.2 12.8 10 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.921 109.2 51.1 -60.6 -41.8 -17.1 24.3 14.1 11 18 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.910 108.0 52.5 -64.9 -36.8 -18.1 25.2 17.7 12 19 A E H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.900 106.7 53.6 -64.9 -40.0 -21.8 25.2 16.7 13 20 A L H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.942 110.3 47.4 -54.8 -45.0 -21.3 21.7 15.2 14 21 A Q H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.879 106.9 54.7 -66.7 -39.9 -19.8 20.7 18.6 15 22 A D H X S+ 0 0 31 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.915 107.3 54.1 -57.1 -41.8 -22.7 22.3 20.5 16 23 A G H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.917 109.9 45.3 -55.2 -48.6 -25.0 20.1 18.3 17 24 A L H X S+ 0 0 26 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.909 116.4 45.2 -63.5 -43.9 -23.1 16.9 19.2 18 25 A N H X S+ 0 0 29 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.903 110.4 53.8 -69.0 -40.8 -23.1 17.8 22.9 19 26 A T H < S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 103.0 57.5 -66.3 -35.3 -26.8 18.9 22.9 20 27 A V H < S+ 0 0 75 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.914 113.5 39.6 -60.7 -40.6 -28.0 15.6 21.4 21 28 A V H < S+ 0 0 120 -4,-1.2 2,-0.3 1,-0.3 -2,-0.2 0.894 139.8 3.1 -78.6 -41.3 -26.3 13.7 24.3 22 29 A D >< - 0 0 59 -4,-2.7 3,-1.9 -5,-0.1 -1,-0.3 -0.858 59.3-158.9-149.9 110.6 -27.4 16.2 27.0 23 30 A K T 3 S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.3 -4,-0.1 0.755 98.2 43.7 -61.7 -25.8 -29.5 19.2 26.3 24 31 A N T >> S+ 0 0 114 1,-0.2 3,-1.6 -6,-0.1 4,-0.9 0.095 74.3 129.3-107.1 22.5 -28.3 21.0 29.4 25 32 A W H X> + 0 0 14 -3,-1.9 4,-0.8 1,-0.3 3,-0.7 0.792 67.2 57.6 -45.4 -42.9 -24.7 20.1 29.0 26 33 A R H 34 S+ 0 0 90 1,-0.2 3,-0.5 -3,-0.2 -1,-0.3 0.821 101.1 56.3 -63.2 -32.9 -23.4 23.7 29.4 27 34 A Q H <4 S+ 0 0 75 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.794 107.7 48.4 -71.4 -27.3 -25.0 24.1 32.8 28 35 A L H << S+ 0 0 91 -4,-0.9 -1,-0.2 -3,-0.7 2,-0.2 0.647 109.0 63.3 -83.4 -18.2 -23.1 21.0 34.1 29 36 A R < - 0 0 97 -4,-0.8 3,-0.0 -3,-0.5 0, 0.0 -0.627 61.9-154.8-112.4 161.9 -19.7 22.2 32.8 30 37 A R >> - 0 0 154 -2,-0.2 3,-1.7 1,-0.1 4,-0.9 -0.943 34.1-111.3-128.5 155.3 -17.3 25.1 33.4 31 38 A P H >> S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.879 117.4 61.9 -51.0 -39.9 -14.7 26.6 31.1 32 39 A G H 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.728 93.3 62.3 -60.6 -25.6 -12.0 25.3 33.5 33 40 A D H <> S+ 0 0 61 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.919 107.1 43.8 -64.2 -45.3 -13.1 21.7 32.8 34 41 A W H X S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.946 112.4 49.7 -60.0 -48.4 1.1 14.1 23.6 46 53 A L H >< S+ 0 0 23 -4,-2.8 3,-1.7 1,-0.2 5,-0.3 0.913 107.0 54.7 -56.7 -43.6 4.2 15.6 25.3 47 54 A D H 3< S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.724 97.7 63.6 -71.4 -18.9 5.0 12.4 27.1 48 55 A S H << S+ 0 0 43 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.624 91.9 80.2 -77.5 -15.3 5.0 10.3 23.9 49 56 A Y S << S- 0 0 16 -3,-1.7 2,-2.3 -4,-0.5 3,-0.3 -0.574 98.3-105.6 -83.5 155.7 8.0 12.3 22.7 50 57 A P + 0 0 34 0, 0.0 -3,-0.1 0, 0.0 7,-0.1 -0.362 68.7 138.8 -83.4 67.5 11.5 11.5 24.0 51 58 A W + 0 0 87 -2,-2.3 2,-1.1 -5,-0.3 -4,-0.1 0.690 34.0 98.9 -84.3 -21.3 11.8 14.5 26.3 52 59 A K > - 0 0 72 -3,-0.3 3,-1.9 1,-0.2 5,-0.3 -0.588 55.1-167.3 -78.3 100.3 13.4 12.8 29.3 53 60 A W T 3 S+ 0 0 215 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.0 0.578 82.0 57.9 -68.3 -11.3 17.0 13.8 28.7 54 61 A W T 3 S+ 0 0 140 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.283 93.3 81.6-100.8 6.6 18.2 11.3 31.4 55 62 A K S < S- 0 0 109 -3,-1.9 2,-1.6 2,-0.2 0, 0.0 -0.845 81.7-123.1-114.3 152.0 16.8 8.2 29.7 56 63 A N + 0 0 173 -2,-0.3 2,-0.3 0, 0.0 -3,-0.1 -0.482 66.0 170.4 -88.0 64.3 18.1 6.1 26.9 57 64 A V + 0 0 79 -2,-1.6 -2,-0.2 -5,-0.3 2,-0.0 -0.956 18.6 59.3-150.1 156.3 15.0 6.6 24.8 58 65 A K + 0 0 61 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.705 20.8 169.4-173.0-174.5 13.3 6.5 22.4 59 66 A A - 0 0 88 1,-0.1 3,-0.1 -10,-0.1 -2,-0.0 -0.327 59.8-107.6 -56.7 136.9 11.1 5.9 19.3 60 67 A Q - 0 0 81 1,-0.1 -11,-0.1 -11,-0.1 -1,-0.1 -0.198 56.1 -71.6 -58.1 160.3 9.2 9.0 18.3 61 68 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.106 49.9 -96.4 -59.1 157.1 5.4 8.9 19.0 62 69 A D > - 0 0 95 1,-0.1 4,-2.1 -3,-0.1 3,-0.4 -0.615 29.6-142.6 -72.6 123.2 2.9 6.7 17.2 63 70 A L H > S+ 0 0 76 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.816 98.7 55.5 -60.8 -36.7 1.3 8.9 14.5 64 71 A Q H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.3 48.2 -65.6 -37.7 -2.2 7.3 15.0 65 72 A N H > S+ 0 0 85 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.888 109.7 53.2 -69.7 -38.1 -2.1 8.2 18.7 66 73 A V H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.952 108.6 49.2 -58.9 -47.7 -1.0 11.7 17.8 67 74 A K H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.896 110.6 51.2 -57.1 -44.3 -4.0 12.1 15.5 68 75 A I H X S+ 0 0 93 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.916 110.2 49.2 -59.0 -44.1 -6.3 10.8 18.2 69 76 A E H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.907 110.6 49.2 -64.9 -40.1 -5.0 13.2 20.7 70 77 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.890 111.4 50.2 -62.9 -40.4 -5.4 16.2 18.4 71 78 A T H X S+ 0 0 15 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.916 110.1 50.1 -64.4 -43.5 -8.9 15.1 17.6 72 79 A D H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 109.1 51.5 -59.4 -49.4 -9.7 14.9 21.3 73 80 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.915 106.3 55.9 -54.2 -43.2 -8.3 18.3 21.9 74 81 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.919 105.8 50.1 -56.0 -46.0 -10.4 19.7 19.1 75 82 A H H X S+ 0 0 49 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.929 114.2 45.6 -58.7 -42.2 -13.6 18.4 20.8 76 83 A F H X S+ 0 0 50 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.889 113.8 47.3 -69.0 -39.6 -12.6 20.0 24.1 77 84 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.852 112.3 48.7 -73.9 -35.1 -11.6 23.3 22.6 78 85 A L H X S+ 0 0 2 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.899 113.1 49.0 -66.1 -41.8 -14.8 23.6 20.5 79 86 A S H X S+ 0 0 2 -4,-2.0 4,-0.5 -5,-0.3 3,-0.4 0.937 111.9 50.2 -62.6 -43.4 -16.8 22.7 23.6 80 87 A G H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.893 104.1 57.2 -57.4 -44.5 -14.8 25.3 25.5 81 88 A A H >< S+ 0 0 14 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.849 97.0 62.7 -58.4 -37.7 -15.4 28.0 22.9 82 89 A M H 3< S+ 0 0 18 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.696 101.4 54.4 -62.9 -15.5 -19.2 27.5 23.4 83 90 A Q T << S+ 0 0 44 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 0.274 102.1 63.4-104.1 18.4 -18.8 28.7 27.0 84 91 A V < 0 0 71 -3,-1.5 72,-0.0 -4,-0.1 0, 0.0 -0.978 360.0 360.0-141.3 149.5 -17.0 32.0 26.3 85 92 A S 0 0 173 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.164 360.0 360.0-153.6 360.0 -18.1 35.2 24.5 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 112 A K 0 0 100 0, 0.0 2,-0.5 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 136.4 -5.5 42.2 28.3 88 113 A H - 0 0 113 67,-0.0 35,-3.1 2,-0.0 2,-0.3 -0.960 360.0-146.0-114.8 119.0 -4.3 38.6 28.9 89 114 A W E -A 122 0A 128 -2,-0.5 2,-0.4 33,-0.2 33,-0.2 -0.634 8.0-157.9 -94.3 139.4 -0.6 38.1 28.3 90 115 A C E -A 121 0A 4 31,-2.9 31,-2.4 -2,-0.3 2,-0.6 -0.947 5.5-163.8-112.5 140.4 1.2 35.0 27.0 91 116 A Y - 0 0 112 -2,-0.4 2,-0.2 29,-0.2 28,-0.1 -0.882 25.8-161.2-123.5 90.4 4.8 34.2 27.5 92 117 A F - 0 0 0 -2,-0.6 26,-3.3 27,-0.3 2,-0.2 -0.503 15.1-124.4 -85.9 149.5 5.6 31.5 24.9 93 118 A D - 0 0 30 51,-0.3 24,-0.1 24,-0.2 55,-0.1 -0.543 19.3-155.1 -75.4 141.2 8.4 29.0 24.6 94 119 A Q - 0 0 97 22,-0.3 3,-0.1 -2,-0.2 36,-0.0 -0.758 45.9 -71.8-102.5 162.5 10.5 28.9 21.4 95 120 A P S S- 0 0 36 0, 0.0 46,-0.1 0, 0.0 -1,-0.1 -0.312 73.8 -72.9 -56.2 145.3 12.2 25.6 20.4 96 121 A R - 0 0 201 44,-0.2 2,-0.1 1,-0.1 44,-0.1 -0.129 59.4-129.3 -48.1 130.5 15.1 24.7 22.7 97 122 A A - 0 0 81 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.359 5.9-121.5 -86.0 156.6 18.1 27.0 21.9 98 123 A L - 0 0 161 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.593 51.6 -80.1 -84.5 157.2 21.7 26.2 21.2 99 124 A P - 0 0 118 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.224 55.1 -94.3 -58.5 151.7 24.3 27.8 23.5 100 125 A A + 0 0 53 4,-0.1 2,-0.2 5,-0.1 3,-0.1 -0.421 62.1 151.1 -65.5 141.5 25.1 31.5 22.9 101 126 A A > + 0 0 68 1,-0.1 3,-1.3 -2,-0.1 5,-0.1 -0.784 31.4 70.2-155.1-168.2 28.3 31.9 20.7 102 127 A G T 3 S- 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.830 127.7 -47.9 48.2 41.4 30.1 34.1 18.2 103 128 A G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.680 124.9 95.2 77.5 18.0 30.8 36.7 20.8 104 129 A A X + 0 0 53 -3,-1.3 3,-1.5 2,-0.1 -2,-0.1 0.406 60.9 87.1-106.7 -5.3 27.3 37.0 22.3 105 130 A E G > S+ 0 0 75 1,-0.2 3,-0.9 2,-0.2 -5,-0.1 0.673 73.3 73.5 -65.2 -17.1 28.3 34.4 25.1 106 131 A Y G 3 S+ 0 0 181 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.518 100.4 41.5 -78.9 -8.8 29.6 37.4 27.2 107 132 A V G < S+ 0 0 123 -3,-1.5 2,-1.7 2,-0.0 -1,-0.2 0.211 83.7 110.9-115.9 11.0 26.1 38.6 28.0 108 133 A A < + 0 0 67 -3,-0.9 2,-0.2 -4,-0.1 -3,-0.1 -0.622 48.5 141.9 -83.5 78.9 24.7 35.1 28.6 109 134 A C - 0 0 96 -2,-1.7 2,-0.2 1,-0.1 -2,-0.0 -0.727 66.1 -73.2-115.0 166.3 24.2 35.5 32.3 110 135 A V - 0 0 112 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.462 64.4-166.7 -59.2 122.3 21.6 34.3 34.7 111 136 A E - 0 0 69 -2,-0.2 3,-0.1 1,-0.2 4,-0.1 -0.605 30.6 -64.0-112.2 172.0 18.6 36.6 33.9 112 137 A T S > S- 0 0 78 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 -0.241 75.0 -82.9 -51.3 138.5 15.2 37.5 35.4 113 138 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.189 119.1 27.2 -46.9 133.0 13.0 34.4 35.5 114 139 A G T > S+ 0 0 43 -3,-0.1 3,-1.1 -23,-0.0 -2,-0.1 0.545 75.9 131.8 90.5 9.4 11.3 33.9 32.1 115 140 A S T < S+ 0 0 67 -3,-1.4 -3,-0.1 1,-0.3 4,-0.0 0.855 70.6 56.6 -61.9 -36.9 14.0 35.6 30.0 116 141 A S T 3 S+ 0 0 104 -5,-0.1 -22,-0.3 2,-0.0 -1,-0.3 0.647 90.7 94.8 -69.3 -16.1 14.0 32.6 27.5 117 142 A L S < S- 0 0 43 -3,-1.1 -24,-0.2 1,-0.1 -25,-0.1 -0.458 89.2 -98.0 -74.8 148.5 10.3 33.1 26.9 118 143 A S - 0 0 31 -26,-3.3 3,-0.1 -2,-0.1 -1,-0.1 -0.153 53.3 -80.5 -56.2 157.5 9.2 35.2 24.0 119 144 A A S S- 0 0 79 1,-0.2 -27,-0.3 -28,-0.1 -1,-0.1 -0.314 70.9 -72.5 -54.0 146.1 8.3 38.9 24.6 120 145 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 -29,-0.2 -0.197 52.3-162.4 -46.9 127.1 4.7 39.2 26.0 121 146 A V E -A 90 0A 24 -31,-2.4 -31,-2.9 -3,-0.1 2,-0.2 -0.977 19.9-122.6-113.3 129.1 2.1 38.6 23.4 122 147 A S E >> -A 89 0A 8 -2,-0.5 3,-1.5 -33,-0.2 4,-0.8 -0.509 17.2-132.0 -66.2 133.7 -1.4 39.7 23.9 123 148 A A G >4 S+ 0 0 2 -35,-3.1 3,-0.6 1,-0.3 -1,-0.1 0.876 107.5 51.9 -57.1 -37.1 -3.9 36.8 23.7 124 149 A D G 34 S+ 0 0 112 1,-0.2 -1,-0.3 -36,-0.2 -35,-0.1 0.596 114.3 43.0 -77.9 -8.4 -6.2 38.7 21.4 125 150 A E G <4 S+ 0 0 153 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.393 88.4 122.9-110.3 -2.6 -3.3 39.6 19.0 126 151 A C << - 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0 0 23 -5,-2.7 2,-1.2 -6,-0.1 -1,-0.2 -0.928 52.7-144.9-115.9 125.0 -4.3 14.7 8.5 175 200 A N > + 0 0 18 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.759 23.5 177.4 -90.3 92.9 -7.2 16.9 7.4 176 201 A L H > S+ 0 0 0 -2,-1.2 4,-2.8 -10,-0.3 -1,-0.2 0.823 73.6 55.6 -73.8 -28.8 -8.8 17.4 10.8 177 202 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 112.2 42.7 -66.9 -48.4 -11.6 19.7 9.6 178 203 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.929 115.7 49.7 -63.8 -43.9 -12.8 17.2 7.0 179 204 A Y H X S+ 0 0 41 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.922 109.2 52.1 -58.5 -47.3 -12.4 14.4 9.4 180 205 A Y H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.924 111.7 45.6 -55.5 -45.6 -14.4 16.3 12.1 181 206 A V H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.906 114.0 49.0 -68.4 -42.7 -17.3 17.0 9.8 182 207 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 114.5 44.8 -60.0 -45.9 -17.3 13.3 8.5 183 208 A K H X S+ 0 0 62 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.864 108.2 57.9 -68.8 -35.1 -17.3 11.9 12.0 184 209 A H H X S+ 0 0 9 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.926 108.4 47.1 -58.4 -44.3 -19.9 14.5 13.1 185 210 A T H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.925 109.8 51.8 -65.0 -45.2 -22.2 13.0 10.4 186 211 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.871 103.5 59.9 -60.8 -38.6 -21.5 9.4 11.4 187 212 A N H < S+ 0 0 55 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.920 108.2 44.3 -55.4 -43.2 -22.3 10.3 15.0 188 213 A G H >< S+ 0 0 24 -4,-1.4 3,-1.3 -3,-0.2 4,-0.3 0.917 110.5 53.9 -68.9 -42.2 -25.8 11.3 13.9 189 214 A I H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 6,-0.3 0.927 101.6 60.0 -56.8 -42.2 -26.2 8.2 11.7 190 215 A R T 3< S+ 0 0 124 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.660 102.8 52.8 -62.5 -18.1 -25.4 6.0 14.7 191 216 A Q T < S+ 0 0 93 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.439 86.5 109.7 -94.7 -0.4 -28.4 7.4 16.5 192 217 A M S X> S- 0 0 28 -3,-2.2 4,-2.5 -4,-0.3 3,-0.7 -0.523 72.5-130.9 -82.1 138.3 -30.8 6.6 13.7 193 218 A K H 3> S+ 0 0 134 -2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.925 108.1 51.6 -46.2 -50.7 -33.4 3.8 14.1 194 219 A G H 34>S+ 0 0 0 1,-0.2 6,-2.4 2,-0.2 5,-1.0 0.781 109.2 49.6 -67.4 -24.8 -32.4 2.3 10.8 195 220 A Y H X45S+ 0 0 63 -3,-0.7 3,-1.3 -6,-0.3 -1,-0.2 0.946 112.1 47.7 -70.1 -50.2 -28.7 2.3 11.6 196 221 A K H 3<5S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.812 113.1 47.7 -62.0 -32.5 -29.3 0.6 14.9 197 222 A D T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.408 114.6-111.4 -94.6 3.7 -31.7 -2.1 13.5 198 223 A G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.509 84.9 118.2 85.2 3.0 -29.4 -3.0 10.6 199 224 A T < + 0 0 86 -5,-1.0 2,-0.7 -6,-0.3 -4,-0.2 0.875 64.0 66.8 -66.9 -38.9 -31.7 -1.6 7.9 200 225 A Y S S- 0 0 32 -6,-2.4 2,-0.2 49,-0.0 -2,-0.1 -0.773 74.1-175.1 -94.3 120.0 -29.1 0.9 6.7 201 226 A V - 0 0 100 -2,-0.7 4,-0.1 46,-0.3 -2,-0.0 -0.703 24.8 -97.0-119.1 157.6 -26.1 -0.8 5.2 202 227 A K - 0 0 68 -2,-0.2 44,-0.2 1,-0.1 3,-0.2 -0.275 23.2-124.8 -73.7 156.0 -22.7 0.3 3.8 203 228 A V S S+ 0 0 114 42,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.712 107.5 35.4 -71.8 -21.8 -21.9 0.9 0.1 204 229 A Q S > S- 0 0 121 41,-0.4 3,-1.2 3,-0.1 -1,-0.3 -0.954 91.8-132.8-135.7 113.0 -19.1 -1.6 0.4 205 230 A K T 3 S+ 0 0 97 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.338 85.2 18.1 -69.1 142.8 -19.7 -4.6 2.7 206 231 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.243 86.2 128.0 87.6 -13.5 -17.0 -5.5 5.2 207 232 A V < - 0 0 33 -3,-1.2 -1,-0.2 1,-0.1 -3,-0.1 -0.626 62.9-116.3 -82.7 130.7 -15.1 -2.2 5.1 208 233 A E > - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.280 23.3-111.5 -67.6 153.6 -14.5 -0.7 8.6 209 234 A D H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 115.0 52.0 -53.9 -44.5 -16.2 2.6 9.5 210 235 A N H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 108.4 50.0 -66.1 -35.5 -12.9 4.6 9.7 211 236 A E H > S+ 0 0 54 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.870 110.7 51.9 -68.0 -36.1 -11.8 3.4 6.2 212 237 A L H X S+ 0 0 15 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.941 109.6 48.1 -63.9 -49.0 -15.2 4.4 4.9 213 238 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.881 108.2 56.1 -54.8 -41.6 -14.8 7.9 6.4 214 239 A H H X S+ 0 0 125 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.913 105.4 51.0 -60.7 -43.4 -11.3 8.2 4.9 215 240 A G H < S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 107.7 54.0 -60.0 -33.8 -12.7 7.5 1.5 216 241 A C H < S+ 0 0 8 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 119.5 31.4 -68.0 -32.8 -15.3 10.2 2.0 217 242 A I H >< S+ 0 0 14 -4,-1.4 3,-2.1 -3,-0.4 -2,-0.2 0.591 89.8 94.9-106.7 -10.2 -12.7 12.9 2.9 218 243 A S T 3< S+ 0 0 75 -4,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.763 79.6 59.8 -60.9 -28.0 -9.6 11.9 0.9 219 244 A P T 3 S+ 0 0 73 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.663 93.9 84.5 -72.1 -8.6 -10.3 14.2 -2.1 220 245 A F < - 0 0 16 -3,-2.1 2,-0.1 -45,-0.1 -42,-0.1 -0.795 59.3-159.6-105.8 130.3 -10.2 17.3 0.2 221 246 A S > - 0 0 52 -2,-0.5 4,-0.9 1,-0.1 5,-0.1 -0.424 38.4-105.7 -85.0 169.5 -7.2 19.3 1.3 222 247 A L T >4 S+ 0 0 26 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.936 124.1 50.8 -59.3 -46.1 -7.4 21.6 4.4 223 248 A D G >4 S+ 0 0 72 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.896 102.9 61.8 -59.4 -36.9 -7.6 24.6 2.2 224 249 A D G 34 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.780 112.5 35.8 -60.0 -31.2 -10.4 23.0 0.2 225 250 A V G << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.257 112.0 58.4-112.1 15.0 -12.6 22.9 3.3 226 251 A T < + 0 0 30 -3,-1.3 2,-0.4 -4,-0.4 -223,-0.4 0.079 64.0 128.4-132.9 26.5 -11.6 26.2 5.0 227 252 A N > - 0 0 92 -4,-0.2 4,-1.9 -3,-0.2 3,-0.4 -0.708 57.2-137.8 -83.2 130.5 -12.4 28.9 2.5 228 253 A E T 4 S+ 0 0 59 -2,-0.4 4,-0.2 1,-0.2 -1,-0.1 0.778 99.3 52.2 -57.3 -30.0 -14.6 31.6 4.0 229 254 A G T 4 S+ 0 0 69 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.889 126.7 11.3 -75.3 -43.2 -16.7 31.8 0.9 230 255 A N T >> S+ 0 0 64 -3,-0.4 4,-1.6 1,-0.1 3,-0.8 0.313 82.2 114.3-126.4 10.9 -17.7 28.2 0.4 231 256 A Y H 3X S+ 0 0 14 -4,-1.9 4,-2.7 1,-0.3 5,-0.2 0.856 79.0 57.6 -56.9 -35.6 -16.8 26.1 3.4 232 257 A K H 3> S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.880 106.1 50.3 -63.7 -36.7 -20.4 25.3 4.3 233 258 A T H <> S+ 0 0 87 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.869 111.3 47.7 -65.4 -38.6 -20.9 23.8 0.8 234 259 A K H X S+ 0 0 73 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.894 111.7 49.6 -72.5 -37.8 -17.8 21.6 1.2 235 260 A W H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 110.1 51.2 -67.3 -38.9 -18.9 20.5 4.6 236 261 A D H X S+ 0 0 46 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.905 108.5 52.6 -61.0 -38.3 -22.4 19.7 3.2 237 262 A D H X S+ 0 0 51 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.928 109.4 48.4 -64.1 -42.0 -20.7 17.7 0.4 238 263 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.941 110.5 51.7 -64.5 -43.7 -18.7 15.7 3.1 239 264 A M H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.940 111.0 47.8 -55.2 -48.6 -22.0 15.1 5.0 240 265 A H H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.878 109.5 53.1 -62.4 -40.7 -23.6 13.8 1.8 241 266 A R H X S+ 0 0 96 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.916 111.2 46.1 -61.5 -41.7 -20.7 11.6 1.1 242 267 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.940 110.6 52.0 -68.0 -45.4 -20.9 10.0 4.5 243 268 A Y H <>S+ 0 0 9 -4,-2.8 5,-2.8 1,-0.2 4,-0.3 0.902 112.2 47.8 -56.4 -44.0 -24.6 9.6 4.3 244 269 A D H ><5S+ 0 0 76 -4,-2.4 3,-1.0 3,-0.2 -1,-0.2 0.921 110.8 50.0 -59.0 -49.0 -24.2 7.8 0.9 245 270 A A H 3<5S+ 0 0 9 -4,-2.3 -42,-2.3 1,-0.3 -41,-0.4 0.810 114.8 44.2 -64.9 -33.9 -21.4 5.5 2.2 246 271 A F T 3<5S- 0 0 3 -4,-2.2 -1,-0.3 -44,-0.2 -2,-0.2 0.303 114.8-112.4 -97.9 7.4 -23.4 4.4 5.2 247 272 A G T < 5 + 0 0 29 -3,-1.0 -46,-0.3 -4,-0.3 -3,-0.2 0.811 50.0 170.4 76.0 35.4 -26.6 3.9 3.4 248 273 A T < - 0 0 4 -5,-2.8 -1,-0.2 -6,-0.2 5,-0.1 -0.636 33.8-122.0 -86.0 127.5 -28.8 6.7 4.8 249 274 A P > - 0 0 32 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.258 26.9-110.3 -61.8 154.4 -32.2 7.2 3.0 250 275 A K G > S+ 0 0 180 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.879 113.4 56.4 -52.8 -43.7 -32.8 10.7 1.6 251 276 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.617 102.2 55.8 -72.4 -13.9 -35.5 11.7 4.0 252 277 A E G < S+ 0 0 86 -3,-1.4 -1,-0.3 2,-0.1 2,-0.2 0.432 87.4 104.6 -94.7 -1.4 -33.3 11.0 7.1 253 278 A R < - 0 0 59 -3,-1.5 2,-0.3 -4,-0.4 -13,-0.0 -0.524 56.6-149.7 -84.2 150.0 -30.5 13.4 6.0 254 279 A L - 0 0 63 -2,-0.2 2,-0.2 -18,-0.0 -2,-0.1 -0.853 12.1-131.1-111.3 150.7 -29.8 16.8 7.4 255 280 A N >> - 0 0 90 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.608 30.4-106.6 -89.9 158.2 -28.2 19.7 5.5 256 281 A I H >> S+ 0 0 11 1,-0.3 3,-1.4 -2,-0.2 4,-1.2 0.855 118.0 67.0 -52.0 -35.2 -25.3 21.8 6.9 257 282 A G H 34 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.2 -25,-0.0 0.705 87.2 68.6 -62.8 -23.9 -27.8 24.6 7.6 258 283 A H H <4 S+ 0 0 119 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.863 109.0 34.6 -58.1 -37.4 -29.5 22.5 10.2 259 284 A W H << S+ 0 0 48 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.693 102.9 83.0 -93.8 -25.2 -26.5 22.7 12.5 260 285 A L < 0 0 20 -4,-1.2 -251,-0.1 1,-0.1 -250,-0.0 -0.697 360.0 360.0 -96.3 136.3 -25.3 26.2 11.8 261 286 A K 0 0 116 -2,-0.3 -1,-0.1 -252,-0.0 -2,-0.0 0.287 360.0 360.0-107.3 360.0 -26.7 29.4 13.4